ethyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O4S3 MolecularWeight: 489.63072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H23N3O4S3/c1-3-29-21(26)19-18(16-7-5-4-6-8-16)14(2)31-20(19)25-22(30)24-13-15-9-11-17(12-10-15)32(23,27)28/h4-12H,3,13H2,1-2H3,(H2,23,27,28)(H2,24,25,30)